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ENAMINE-ZINC03256456

 MMsINC code: MMs01333771
Type: Neutral
Formula: C10H19N3O4
SMILES:   O(C(=O)CNC(=O)C(NC(=O)N)C(CC)C)C
InChI:   InChI=1/C10H19N3O4/c1-4-6(2)8(13-10(11)16)9(15)12-5-7(14)17-3/h6,8H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t6-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=36.3925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.279 g/mol  logS: -1.53703  SlogP: -0.6414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0627991  Sterimol/B1: 2.25666  Sterimol/B2: 2.70763  Sterimol/B3: 3.64519
  Sterimol/B4: 7.35144  Sterimol/L: 14.223 
 
 Surface and Volume Properties
  Accessible surface: 479.016  Positive charged surface: 357.384  Negative charged surface: 121.632  Volume: 231.375
  Hydrophobic surface: 251.491  Hydrophilic surface: 227.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.